Abstract
The atomic structure, and the electronic and transport properties of ultrathin Cunanowires 2–10 Å in diameter were investigated by gradient-corrected density functionaltheory. Multi-shell nanowires with both helical and crystalline structures were observed.The numbers of conduction channels were determined from the electronic band structures.In general, the number of conduction channels increases when the nanowire becomesthicker, and the crystalline nanowires have more conduction channels than the helical ones.The atomic structures and quantum conductance of the atom-centred pentagonal Cunanowires from our simulation are consistent with results of recent experiments.
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